USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 CYS SG : rot 156:sc= -1.03! USER MOD Set 1.2: A 10 CYS SG : rot -54:sc= -6.59! USER MOD Set 1.3: A 28 CYS SG : rot -127:sc= -0.362 USER MOD Set 1.4: A 31 CYS SG : rot 149:sc= -3.26! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -3.43 K(o=-3.4,f=-4.1!) USER MOD Single : A 11 GLN : amide:sc= -0.666 K(o=-0.67,f=0) USER MOD Single : A 12 THR OG1 : rot -109:sc= 0.255 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 34:sc= 0.0681 USER MOD Single : A 15 THR OG1 : rot -121:sc= 1.8 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 21 SER OG : rot 180:sc= -0.1 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.998 K(o=-1,f=-4.1!) USER MOD Single : A 34 TYR OH : rot 165:sc= -0.89 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.561 K(o=-0.56,f=-0.023) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 41 ASN : amide:sc= -0.0232 K(o=-0.023,f=-1.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc=0.000406 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.2 K(o=-1.2,f=-1.9!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.293 USER MOD Single : A 55 ASN : amide:sc= -0.0285 X(o=-0.028,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 561 N ALA A 3 -6.589 7.654 14.232 1.00 0.00 N ATOM 562 CA ALA A 3 -7.096 6.282 14.541 1.00 0.00 C ATOM 563 C ALA A 3 -8.592 6.366 14.870 1.00 0.00 C ATOM 564 O ALA A 3 -8.996 7.048 15.793 1.00 0.00 O ATOM 565 CB ALA A 3 -6.334 5.714 15.745 1.00 0.00 C ATOM 0 HA ALA A 3 -6.945 5.629 13.681 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.704 4.714 15.970 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.270 5.664 15.512 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.486 6.360 16.610 1.00 0.00 H new ATOM 571 N GLY A 4 -9.413 5.689 14.111 1.00 0.00 N ATOM 572 CA GLY A 4 -10.887 5.738 14.358 1.00 0.00 C ATOM 573 C GLY A 4 -11.612 6.038 13.039 1.00 0.00 C ATOM 574 O GLY A 4 -12.755 5.667 12.852 1.00 0.00 O ATOM 0 H GLY A 4 -9.126 5.102 13.328 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.231 4.788 14.767 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.118 6.506 15.096 1.00 0.00 H new ATOM 578 N THR A 5 -10.952 6.704 12.119 1.00 0.00 N ATOM 579 CA THR A 5 -11.591 7.018 10.807 1.00 0.00 C ATOM 580 C THR A 5 -11.990 5.715 10.113 1.00 0.00 C ATOM 581 O THR A 5 -11.212 5.121 9.400 1.00 0.00 O ATOM 582 CB THR A 5 -10.608 7.778 9.926 1.00 0.00 C ATOM 583 OG1 THR A 5 -10.253 9.001 10.560 1.00 0.00 O ATOM 584 CG2 THR A 5 -11.246 8.069 8.565 1.00 0.00 C ATOM 0 H THR A 5 -9.996 7.043 12.224 1.00 0.00 H new ATOM 0 HA THR A 5 -12.476 7.632 10.974 1.00 0.00 H new ATOM 0 HB THR A 5 -9.714 7.172 9.777 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.619 9.490 9.995 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.538 8.613 7.940 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.512 7.130 8.080 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.143 8.672 8.705 1.00 0.00 H new ATOM 592 N VAL A 6 -13.190 5.259 10.323 1.00 0.00 N ATOM 593 CA VAL A 6 -13.624 3.994 9.668 1.00 0.00 C ATOM 594 C VAL A 6 -14.111 4.328 8.254 1.00 0.00 C ATOM 595 O VAL A 6 -15.118 4.985 8.075 1.00 0.00 O ATOM 596 CB VAL A 6 -14.740 3.330 10.491 1.00 0.00 C ATOM 597 CG1 VAL A 6 -14.243 3.091 11.921 1.00 0.00 C ATOM 598 CG2 VAL A 6 -15.977 4.234 10.540 1.00 0.00 C ATOM 0 H VAL A 6 -13.889 5.705 10.918 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.793 3.292 9.610 1.00 0.00 H new ATOM 0 HB VAL A 6 -15.006 2.383 10.021 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -15.033 2.620 12.507 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -13.370 2.439 11.899 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -13.973 4.044 12.376 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -16.758 3.750 11.126 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -15.714 5.186 11.001 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -16.340 4.410 9.527 1.00 0.00 H new ATOM 608 N CYS A 7 -13.381 3.909 7.250 1.00 0.00 N ATOM 609 CA CYS A 7 -13.779 4.222 5.842 1.00 0.00 C ATOM 610 C CYS A 7 -15.263 3.899 5.628 1.00 0.00 C ATOM 611 O CYS A 7 -15.663 2.751 5.601 1.00 0.00 O ATOM 612 CB CYS A 7 -12.929 3.395 4.882 1.00 0.00 C ATOM 613 SG CYS A 7 -13.445 3.710 3.178 1.00 0.00 S ATOM 0 H CYS A 7 -12.525 3.363 7.345 1.00 0.00 H new ATOM 0 HA CYS A 7 -13.620 5.283 5.652 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.876 3.647 5.005 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.032 2.335 5.112 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.462 3.443 2.371 1.00 0.00 H new ATOM 618 N SER A 8 -16.080 4.910 5.477 1.00 0.00 N ATOM 619 CA SER A 8 -17.547 4.684 5.272 1.00 0.00 C ATOM 620 C SER A 8 -17.813 3.814 4.026 1.00 0.00 C ATOM 621 O SER A 8 -18.915 3.353 3.820 1.00 0.00 O ATOM 622 CB SER A 8 -18.242 6.040 5.108 1.00 0.00 C ATOM 623 OG SER A 8 -17.894 6.875 6.207 1.00 0.00 O ATOM 0 H SER A 8 -15.794 5.889 5.487 1.00 0.00 H new ATOM 0 HA SER A 8 -17.941 4.157 6.141 1.00 0.00 H new ATOM 0 HB2 SER A 8 -17.940 6.507 4.170 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.323 5.906 5.064 1.00 0.00 H new ATOM 0 HG SER A 8 -18.333 7.745 6.109 1.00 0.00 H new ATOM 629 N ASN A 9 -16.823 3.595 3.193 1.00 0.00 N ATOM 630 CA ASN A 9 -17.039 2.762 1.967 1.00 0.00 C ATOM 631 C ASN A 9 -16.611 1.302 2.215 1.00 0.00 C ATOM 632 O ASN A 9 -17.164 0.392 1.629 1.00 0.00 O ATOM 633 CB ASN A 9 -16.222 3.343 0.808 1.00 0.00 C ATOM 634 CG ASN A 9 -16.994 4.471 0.110 1.00 0.00 C ATOM 635 OD1 ASN A 9 -16.720 4.783 -1.028 1.00 0.00 O ATOM 636 ND2 ASN A 9 -17.947 5.106 0.739 1.00 0.00 N ATOM 0 H ASN A 9 -15.876 3.956 3.309 1.00 0.00 H new ATOM 0 HA ASN A 9 -18.100 2.775 1.719 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.272 3.724 1.182 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -15.990 2.556 0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -18.454 5.858 0.272 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -18.184 4.850 1.697 1.00 0.00 H new ATOM 643 N CYS A 10 -15.634 1.059 3.062 1.00 0.00 N ATOM 644 CA CYS A 10 -15.211 -0.359 3.306 1.00 0.00 C ATOM 645 C CYS A 10 -14.876 -0.600 4.798 1.00 0.00 C ATOM 646 O CYS A 10 -14.214 -1.557 5.145 1.00 0.00 O ATOM 647 CB CYS A 10 -14.007 -0.693 2.407 1.00 0.00 C ATOM 648 SG CYS A 10 -12.519 0.145 2.985 1.00 0.00 S ATOM 0 H CYS A 10 -15.120 1.768 3.586 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.039 -1.021 3.055 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -13.842 -1.770 2.399 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.221 -0.395 1.380 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.750 1.421 3.084 1.00 0.00 H new ATOM 653 N GLN A 11 -15.351 0.258 5.676 1.00 0.00 N ATOM 654 CA GLN A 11 -15.098 0.104 7.152 1.00 0.00 C ATOM 655 C GLN A 11 -13.612 -0.179 7.451 1.00 0.00 C ATOM 656 O GLN A 11 -13.282 -0.758 8.468 1.00 0.00 O ATOM 657 CB GLN A 11 -15.971 -1.038 7.696 1.00 0.00 C ATOM 658 CG GLN A 11 -16.102 -0.919 9.223 1.00 0.00 C ATOM 659 CD GLN A 11 -17.368 -0.137 9.585 1.00 0.00 C ATOM 660 OE1 GLN A 11 -18.355 -0.713 9.991 1.00 0.00 O ATOM 661 NE2 GLN A 11 -17.381 1.158 9.459 1.00 0.00 N ATOM 0 H GLN A 11 -15.913 1.072 5.428 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.357 1.042 7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.958 -1.004 7.234 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.530 -2.000 7.435 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.139 -1.912 9.671 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.226 -0.417 9.633 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.553 1.646 9.118 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.220 1.686 9.701 1.00 0.00 H new ATOM 670 N THR A 12 -12.715 0.233 6.594 1.00 0.00 N ATOM 671 CA THR A 12 -11.267 -0.013 6.862 1.00 0.00 C ATOM 672 C THR A 12 -10.694 1.129 7.702 1.00 0.00 C ATOM 673 O THR A 12 -10.906 2.294 7.414 1.00 0.00 O ATOM 674 CB THR A 12 -10.492 -0.133 5.538 1.00 0.00 C ATOM 675 OG1 THR A 12 -9.199 -0.668 5.800 1.00 0.00 O ATOM 676 CG2 THR A 12 -10.353 1.239 4.869 1.00 0.00 C ATOM 0 H THR A 12 -12.920 0.726 5.725 1.00 0.00 H new ATOM 0 HA THR A 12 -11.164 -0.948 7.412 1.00 0.00 H new ATOM 0 HB THR A 12 -11.040 -0.793 4.866 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.525 0.033 5.681 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.802 1.134 3.934 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.343 1.645 4.663 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.815 1.915 5.533 1.00 0.00 H new ATOM 684 N SER A 13 -9.963 0.800 8.736 1.00 0.00 N ATOM 685 CA SER A 13 -9.353 1.856 9.600 1.00 0.00 C ATOM 686 C SER A 13 -7.958 2.207 9.054 1.00 0.00 C ATOM 687 O SER A 13 -7.439 3.281 9.291 1.00 0.00 O ATOM 688 CB SER A 13 -9.223 1.334 11.032 1.00 0.00 C ATOM 689 OG SER A 13 -8.328 0.226 11.047 1.00 0.00 O ATOM 0 H SER A 13 -9.761 -0.159 9.020 1.00 0.00 H new ATOM 0 HA SER A 13 -9.985 2.744 9.597 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.855 2.123 11.687 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.199 1.033 11.412 1.00 0.00 H new ATOM 0 HG SER A 13 -8.240 -0.111 11.963 1.00 0.00 H new ATOM 695 N THR A 14 -7.357 1.298 8.318 1.00 0.00 N ATOM 696 CA THR A 14 -6.005 1.550 7.737 1.00 0.00 C ATOM 697 C THR A 14 -6.157 1.977 6.278 1.00 0.00 C ATOM 698 O THR A 14 -6.856 1.343 5.503 1.00 0.00 O ATOM 699 CB THR A 14 -5.169 0.265 7.790 1.00 0.00 C ATOM 700 OG1 THR A 14 -5.957 -0.825 7.326 1.00 0.00 O ATOM 701 CG2 THR A 14 -4.719 0.001 9.227 1.00 0.00 C ATOM 0 H THR A 14 -7.753 0.385 8.096 1.00 0.00 H new ATOM 0 HA THR A 14 -5.509 2.334 8.310 1.00 0.00 H new ATOM 0 HB THR A 14 -4.289 0.376 7.156 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.569 -0.512 6.628 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.125 -0.913 9.260 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.116 0.838 9.579 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.594 -0.111 9.867 1.00 0.00 H new ATOM 709 N THR A 15 -5.512 3.045 5.891 1.00 0.00 N ATOM 710 CA THR A 15 -5.621 3.509 4.474 1.00 0.00 C ATOM 711 C THR A 15 -4.317 4.190 4.054 1.00 0.00 C ATOM 712 O THR A 15 -3.734 4.953 4.802 1.00 0.00 O ATOM 713 CB THR A 15 -6.782 4.503 4.325 1.00 0.00 C ATOM 714 OG1 THR A 15 -6.404 5.769 4.846 1.00 0.00 O ATOM 715 CG2 THR A 15 -8.010 3.994 5.077 1.00 0.00 C ATOM 0 H THR A 15 -4.916 3.615 6.491 1.00 0.00 H new ATOM 0 HA THR A 15 -5.808 2.645 3.837 1.00 0.00 H new ATOM 0 HB THR A 15 -7.023 4.602 3.267 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.019 6.024 5.565 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.827 4.707 4.964 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.312 3.029 4.670 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.769 3.883 6.134 1.00 0.00 H new ATOM 723 N THR A 16 -3.862 3.926 2.853 1.00 0.00 N ATOM 724 CA THR A 16 -2.601 4.570 2.368 1.00 0.00 C ATOM 725 C THR A 16 -2.826 6.079 2.279 1.00 0.00 C ATOM 726 O THR A 16 -1.938 6.865 2.537 1.00 0.00 O ATOM 727 CB THR A 16 -2.228 4.019 0.981 1.00 0.00 C ATOM 728 OG1 THR A 16 -3.407 3.844 0.203 1.00 0.00 O ATOM 729 CG2 THR A 16 -1.496 2.692 1.134 1.00 0.00 C ATOM 0 H THR A 16 -4.308 3.294 2.189 1.00 0.00 H new ATOM 0 HA THR A 16 -1.787 4.353 3.060 1.00 0.00 H new ATOM 0 HB THR A 16 -1.571 4.726 0.474 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.167 3.495 -0.681 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.234 2.305 0.149 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.588 2.842 1.718 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.142 1.977 1.644 1.00 0.00 H new ATOM 737 N LEU A 17 -4.019 6.481 1.923 1.00 0.00 N ATOM 738 CA LEU A 17 -4.326 7.934 1.818 1.00 0.00 C ATOM 739 C LEU A 17 -5.769 8.185 2.264 1.00 0.00 C ATOM 740 O LEU A 17 -6.715 7.896 1.549 1.00 0.00 O ATOM 741 CB LEU A 17 -4.144 8.382 0.367 1.00 0.00 C ATOM 742 CG LEU A 17 -2.707 8.114 -0.058 1.00 0.00 C ATOM 743 CD1 LEU A 17 -2.598 8.232 -1.573 1.00 0.00 C ATOM 744 CD2 LEU A 17 -1.783 9.130 0.614 1.00 0.00 C ATOM 0 H LEU A 17 -4.796 5.859 1.700 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.651 8.501 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.835 7.845 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.374 9.443 0.269 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.413 7.109 0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.570 8.041 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.259 7.504 -2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.888 9.237 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.753 8.941 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.070 10.138 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.866 9.037 1.697 1.00 0.00 H new ATOM 756 N TRP A 18 -5.950 8.724 3.442 1.00 0.00 N ATOM 757 CA TRP A 18 -7.328 9.001 3.933 1.00 0.00 C ATOM 758 C TRP A 18 -8.011 10.015 3.017 1.00 0.00 C ATOM 759 O TRP A 18 -7.795 11.207 3.120 1.00 0.00 O ATOM 760 CB TRP A 18 -7.270 9.549 5.361 1.00 0.00 C ATOM 761 CG TRP A 18 -7.411 8.416 6.318 1.00 0.00 C ATOM 762 CD1 TRP A 18 -6.567 8.135 7.337 1.00 0.00 C ATOM 763 CD2 TRP A 18 -8.456 7.405 6.358 1.00 0.00 C ATOM 764 NE1 TRP A 18 -7.030 7.011 7.999 1.00 0.00 N ATOM 765 CE2 TRP A 18 -8.191 6.527 7.430 1.00 0.00 C ATOM 766 CE3 TRP A 18 -9.596 7.169 5.568 1.00 0.00 C ATOM 767 CZ2 TRP A 18 -9.027 5.452 7.713 1.00 0.00 C ATOM 768 CZ3 TRP A 18 -10.443 6.088 5.848 1.00 0.00 C ATOM 769 CH2 TRP A 18 -10.158 5.230 6.918 1.00 0.00 C ATOM 0 H TRP A 18 -5.201 8.984 4.084 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.901 8.074 3.929 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -6.326 10.068 5.528 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -8.066 10.277 5.518 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -5.679 8.695 7.592 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.570 6.592 8.807 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.820 7.825 4.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -8.805 4.793 8.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -11.317 5.916 5.238 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -10.811 4.396 7.130 1.00 0.00 H new ATOM 780 N ARG A 19 -8.845 9.549 2.126 1.00 0.00 N ATOM 781 CA ARG A 19 -9.549 10.487 1.211 1.00 0.00 C ATOM 782 C ARG A 19 -10.792 11.035 1.920 1.00 0.00 C ATOM 783 O ARG A 19 -11.897 10.558 1.728 1.00 0.00 O ATOM 784 CB ARG A 19 -9.947 9.759 -0.081 1.00 0.00 C ATOM 785 CG ARG A 19 -10.744 10.711 -0.983 1.00 0.00 C ATOM 786 CD ARG A 19 -10.427 10.425 -2.454 1.00 0.00 C ATOM 787 NE ARG A 19 -10.075 11.709 -3.161 1.00 0.00 N ATOM 788 CZ ARG A 19 -10.829 12.781 -3.078 1.00 0.00 C ATOM 789 NH1 ARG A 19 -12.011 12.738 -2.535 1.00 0.00 N ATOM 790 NH2 ARG A 19 -10.409 13.899 -3.596 1.00 0.00 N ATOM 0 H ARG A 19 -9.067 8.562 1.994 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.888 11.314 0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.056 9.408 -0.602 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.545 8.879 0.155 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.812 10.588 -0.802 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.497 11.745 -0.743 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.598 9.721 -2.526 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.286 9.958 -2.936 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.224 11.746 -3.722 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.370 11.859 -2.163 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.579 13.584 -2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.502 13.937 -4.061 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.987 14.737 -3.537 1.00 0.00 H new ATOM 804 N ARG A 20 -10.619 12.038 2.745 1.00 0.00 N ATOM 805 CA ARG A 20 -11.787 12.626 3.462 1.00 0.00 C ATOM 806 C ARG A 20 -12.744 13.218 2.419 1.00 0.00 C ATOM 807 O ARG A 20 -12.560 14.326 1.950 1.00 0.00 O ATOM 808 CB ARG A 20 -11.300 13.721 4.424 1.00 0.00 C ATOM 809 CG ARG A 20 -12.496 14.498 4.992 1.00 0.00 C ATOM 810 CD ARG A 20 -13.223 13.651 6.040 1.00 0.00 C ATOM 811 NE ARG A 20 -12.861 14.139 7.407 1.00 0.00 N ATOM 812 CZ ARG A 20 -13.563 13.799 8.458 1.00 0.00 C ATOM 813 NH1 ARG A 20 -14.605 13.031 8.345 1.00 0.00 N ATOM 814 NH2 ARG A 20 -13.215 14.233 9.631 1.00 0.00 N ATOM 0 H ARG A 20 -9.720 12.473 2.951 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.304 11.862 4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.729 13.273 5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.629 14.403 3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.154 15.431 5.440 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.182 14.764 4.188 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.301 13.715 5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.948 12.602 5.931 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.051 14.749 7.522 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.886 12.684 7.428 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.142 12.775 9.174 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.398 14.836 9.730 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.758 13.971 10.454 1.00 0.00 H new ATOM 828 N SER A 21 -13.750 12.471 2.032 1.00 0.00 N ATOM 829 CA SER A 21 -14.707 12.975 1.000 1.00 0.00 C ATOM 830 C SER A 21 -15.366 14.278 1.476 1.00 0.00 C ATOM 831 O SER A 21 -15.814 14.366 2.604 1.00 0.00 O ATOM 832 CB SER A 21 -15.785 11.922 0.735 1.00 0.00 C ATOM 833 OG SER A 21 -16.282 12.097 -0.585 1.00 0.00 O ATOM 0 H SER A 21 -13.949 11.535 2.386 1.00 0.00 H new ATOM 0 HA SER A 21 -14.158 13.172 0.079 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.371 10.920 0.853 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.594 12.020 1.459 1.00 0.00 H new ATOM 0 HG SER A 21 -16.973 11.426 -0.766 1.00 0.00 H new ATOM 839 N PRO A 22 -15.406 15.251 0.590 1.00 0.00 N ATOM 840 CA PRO A 22 -16.001 16.571 0.886 1.00 0.00 C ATOM 841 C PRO A 22 -17.456 16.415 1.346 1.00 0.00 C ATOM 842 O PRO A 22 -17.932 17.164 2.175 1.00 0.00 O ATOM 843 CB PRO A 22 -15.921 17.344 -0.440 1.00 0.00 C ATOM 844 CG PRO A 22 -15.220 16.431 -1.478 1.00 0.00 C ATOM 845 CD PRO A 22 -14.872 15.108 -0.777 1.00 0.00 C ATOM 0 HA PRO A 22 -15.480 17.090 1.691 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -16.919 17.618 -0.784 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.364 18.271 -0.309 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -15.873 16.251 -2.332 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.319 16.909 -1.861 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.323 14.259 -1.290 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.795 14.939 -0.765 1.00 0.00 H new ATOM 853 N MET A 23 -18.158 15.433 0.828 1.00 0.00 N ATOM 854 CA MET A 23 -19.575 15.207 1.251 1.00 0.00 C ATOM 855 C MET A 23 -19.641 15.035 2.780 1.00 0.00 C ATOM 856 O MET A 23 -20.663 15.275 3.394 1.00 0.00 O ATOM 857 CB MET A 23 -20.109 13.938 0.572 1.00 0.00 C ATOM 858 CG MET A 23 -21.016 14.320 -0.600 1.00 0.00 C ATOM 859 SD MET A 23 -20.002 14.684 -2.053 1.00 0.00 S ATOM 860 CE MET A 23 -20.668 16.331 -2.388 1.00 0.00 C ATOM 0 H MET A 23 -17.808 14.778 0.129 1.00 0.00 H new ATOM 0 HA MET A 23 -20.181 16.065 0.959 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.279 13.327 0.217 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.663 13.335 1.291 1.00 0.00 H new ATOM 0 HG2 MET A 23 -21.707 13.506 -0.820 1.00 0.00 H new ATOM 0 HG3 MET A 23 -21.620 15.189 -0.338 1.00 0.00 H new ATOM 0 HE1 MET A 23 -20.174 16.752 -3.263 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.739 16.259 -2.576 1.00 0.00 H new ATOM 0 HE3 MET A 23 -20.493 16.976 -1.527 1.00 0.00 H new ATOM 870 N GLY A 24 -18.554 14.630 3.395 1.00 0.00 N ATOM 871 CA GLY A 24 -18.542 14.450 4.880 1.00 0.00 C ATOM 872 C GLY A 24 -18.322 12.972 5.240 1.00 0.00 C ATOM 873 O GLY A 24 -18.736 12.518 6.289 1.00 0.00 O ATOM 0 H GLY A 24 -17.672 14.416 2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.752 15.059 5.320 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -19.485 14.797 5.302 1.00 0.00 H new ATOM 877 N ASP A 25 -17.670 12.218 4.390 1.00 0.00 N ATOM 878 CA ASP A 25 -17.432 10.775 4.702 1.00 0.00 C ATOM 879 C ASP A 25 -15.961 10.405 4.441 1.00 0.00 C ATOM 880 O ASP A 25 -15.518 10.381 3.305 1.00 0.00 O ATOM 881 CB ASP A 25 -18.337 9.904 3.820 1.00 0.00 C ATOM 882 CG ASP A 25 -19.796 10.070 4.242 1.00 0.00 C ATOM 883 OD1 ASP A 25 -20.098 9.788 5.390 1.00 0.00 O ATOM 884 OD2 ASP A 25 -20.586 10.470 3.406 1.00 0.00 O ATOM 0 H ASP A 25 -17.294 12.537 3.497 1.00 0.00 H new ATOM 0 HA ASP A 25 -17.660 10.602 5.754 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -18.218 10.185 2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -18.042 8.858 3.904 1.00 0.00 H new ATOM 889 N PRO A 26 -15.247 10.108 5.502 1.00 0.00 N ATOM 890 CA PRO A 26 -13.834 9.702 5.406 1.00 0.00 C ATOM 891 C PRO A 26 -13.741 8.327 4.725 1.00 0.00 C ATOM 892 O PRO A 26 -14.063 7.309 5.316 1.00 0.00 O ATOM 893 CB PRO A 26 -13.352 9.618 6.863 1.00 0.00 C ATOM 894 CG PRO A 26 -14.567 9.911 7.780 1.00 0.00 C ATOM 895 CD PRO A 26 -15.783 10.169 6.875 1.00 0.00 C ATOM 0 HA PRO A 26 -13.232 10.395 4.819 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.943 8.630 7.074 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.554 10.338 7.044 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.757 9.068 8.445 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.370 10.777 8.412 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.559 9.419 7.031 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -16.232 11.140 7.082 1.00 0.00 H new ATOM 903 N VAL A 27 -13.312 8.284 3.489 1.00 0.00 N ATOM 904 CA VAL A 27 -13.205 6.973 2.778 1.00 0.00 C ATOM 905 C VAL A 27 -11.765 6.737 2.316 1.00 0.00 C ATOM 906 O VAL A 27 -11.165 7.564 1.659 1.00 0.00 O ATOM 907 CB VAL A 27 -14.151 6.943 1.569 1.00 0.00 C ATOM 908 CG1 VAL A 27 -15.568 6.616 2.044 1.00 0.00 C ATOM 909 CG2 VAL A 27 -14.160 8.305 0.867 1.00 0.00 C ATOM 0 H VAL A 27 -13.032 9.098 2.942 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.490 6.180 3.470 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.805 6.183 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -16.243 6.594 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -15.572 5.643 2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.901 7.378 2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -14.835 8.269 0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -14.498 9.071 1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.153 8.545 0.525 1.00 0.00 H new ATOM 919 N CYS A 28 -11.208 5.605 2.662 1.00 0.00 N ATOM 920 CA CYS A 28 -9.818 5.277 2.253 1.00 0.00 C ATOM 921 C CYS A 28 -9.663 5.536 0.744 1.00 0.00 C ATOM 922 O CYS A 28 -10.502 5.154 -0.051 1.00 0.00 O ATOM 923 CB CYS A 28 -9.542 3.804 2.607 1.00 0.00 C ATOM 924 SG CYS A 28 -10.232 2.696 1.352 1.00 0.00 S ATOM 0 H CYS A 28 -11.669 4.886 3.220 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.095 5.902 2.777 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.467 3.641 2.690 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.976 3.572 3.580 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.995 1.813 1.925 1.00 0.00 H new ATOM 929 N ASN A 29 -8.610 6.222 0.360 1.00 0.00 N ATOM 930 CA ASN A 29 -8.378 6.572 -1.088 1.00 0.00 C ATOM 931 C ASN A 29 -8.849 5.446 -2.031 1.00 0.00 C ATOM 932 O ASN A 29 -9.539 5.697 -2.998 1.00 0.00 O ATOM 933 CB ASN A 29 -6.883 6.830 -1.311 1.00 0.00 C ATOM 934 CG ASN A 29 -6.699 7.865 -2.423 1.00 0.00 C ATOM 935 OD1 ASN A 29 -6.976 7.595 -3.570 1.00 0.00 O ATOM 936 ND2 ASN A 29 -6.243 9.052 -2.128 1.00 0.00 N ATOM 0 H ASN A 29 -7.888 6.561 0.996 1.00 0.00 H new ATOM 0 HA ASN A 29 -8.958 7.466 -1.317 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -6.424 7.187 -0.389 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -6.380 5.901 -1.579 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.121 9.749 -2.863 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.009 9.283 -1.163 1.00 0.00 H new ATOM 943 N ALA A 30 -8.477 4.217 -1.758 1.00 0.00 N ATOM 944 CA ALA A 30 -8.897 3.071 -2.635 1.00 0.00 C ATOM 945 C ALA A 30 -10.393 3.165 -2.982 1.00 0.00 C ATOM 946 O ALA A 30 -10.778 3.110 -4.138 1.00 0.00 O ATOM 947 CB ALA A 30 -8.642 1.760 -1.892 1.00 0.00 C ATOM 0 H ALA A 30 -7.897 3.955 -0.961 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.321 3.108 -3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.943 0.921 -2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.581 1.675 -1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.220 1.747 -0.968 1.00 0.00 H new ATOM 953 N CYS A 31 -11.235 3.315 -1.988 1.00 0.00 N ATOM 954 CA CYS A 31 -12.708 3.427 -2.241 1.00 0.00 C ATOM 955 C CYS A 31 -12.979 4.661 -3.103 1.00 0.00 C ATOM 956 O CYS A 31 -13.693 4.603 -4.085 1.00 0.00 O ATOM 957 CB CYS A 31 -13.441 3.579 -0.903 1.00 0.00 C ATOM 958 SG CYS A 31 -13.580 1.967 -0.098 1.00 0.00 S ATOM 0 H CYS A 31 -10.964 3.365 -1.006 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.060 2.533 -2.755 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.901 4.273 -0.258 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -14.432 4.001 -1.066 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.569 2.124 1.192 1.00 0.00 H new ATOM 963 N GLY A 32 -12.406 5.778 -2.735 1.00 0.00 N ATOM 964 CA GLY A 32 -12.613 7.041 -3.512 1.00 0.00 C ATOM 965 C GLY A 32 -12.150 6.870 -4.966 1.00 0.00 C ATOM 966 O GLY A 32 -12.710 7.459 -5.875 1.00 0.00 O ATOM 0 H GLY A 32 -11.797 5.872 -1.922 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.667 7.317 -3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.061 7.856 -3.044 1.00 0.00 H new ATOM 970 N LEU A 33 -11.127 6.088 -5.193 1.00 0.00 N ATOM 971 CA LEU A 33 -10.621 5.895 -6.586 1.00 0.00 C ATOM 972 C LEU A 33 -11.577 4.995 -7.376 1.00 0.00 C ATOM 973 O LEU A 33 -12.159 5.420 -8.359 1.00 0.00 O ATOM 974 CB LEU A 33 -9.229 5.258 -6.540 1.00 0.00 C ATOM 975 CG LEU A 33 -8.202 6.293 -6.079 1.00 0.00 C ATOM 976 CD1 LEU A 33 -6.889 5.591 -5.737 1.00 0.00 C ATOM 977 CD2 LEU A 33 -7.957 7.304 -7.202 1.00 0.00 C ATOM 0 H LEU A 33 -10.619 5.574 -4.473 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.562 6.864 -7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.231 4.406 -5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.960 4.879 -7.526 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.580 6.810 -5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.157 6.329 -5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.060 4.869 -4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.512 5.074 -6.620 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.225 8.042 -6.874 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.579 6.785 -8.083 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.892 7.806 -7.450 1.00 0.00 H new ATOM 989 N TYR A 34 -11.756 3.761 -6.962 1.00 0.00 N ATOM 990 CA TYR A 34 -12.692 2.858 -7.705 1.00 0.00 C ATOM 991 C TYR A 34 -14.071 3.529 -7.787 1.00 0.00 C ATOM 992 O TYR A 34 -14.731 3.489 -8.812 1.00 0.00 O ATOM 993 CB TYR A 34 -12.811 1.505 -6.982 1.00 0.00 C ATOM 994 CG TYR A 34 -13.821 0.638 -7.705 1.00 0.00 C ATOM 995 CD1 TYR A 34 -15.191 0.841 -7.494 1.00 0.00 C ATOM 996 CD2 TYR A 34 -13.390 -0.353 -8.596 1.00 0.00 C ATOM 997 CE1 TYR A 34 -16.127 0.056 -8.175 1.00 0.00 C ATOM 998 CE2 TYR A 34 -14.329 -1.141 -9.272 1.00 0.00 C ATOM 999 CZ TYR A 34 -15.695 -0.934 -9.064 1.00 0.00 C ATOM 1000 OH TYR A 34 -16.619 -1.705 -9.739 1.00 0.00 O ATOM 0 H TYR A 34 -11.299 3.345 -6.151 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.306 2.681 -8.709 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.841 1.008 -6.955 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -13.120 1.658 -5.948 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -15.524 1.604 -6.806 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.334 -0.509 -8.761 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -17.183 0.214 -8.015 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.997 -1.909 -9.955 1.00 0.00 H new ATOM 0 HH TYR A 34 -16.178 -2.169 -10.481 1.00 0.00 H new ATOM 1010 N TYR A 35 -14.503 4.159 -6.718 1.00 0.00 N ATOM 1011 CA TYR A 35 -15.830 4.846 -6.730 1.00 0.00 C ATOM 1012 C TYR A 35 -15.887 5.840 -7.899 1.00 0.00 C ATOM 1013 O TYR A 35 -16.847 5.884 -8.628 1.00 0.00 O ATOM 1014 CB TYR A 35 -16.033 5.597 -5.408 1.00 0.00 C ATOM 1015 CG TYR A 35 -17.466 6.069 -5.305 1.00 0.00 C ATOM 1016 CD1 TYR A 35 -17.841 7.296 -5.865 1.00 0.00 C ATOM 1017 CD2 TYR A 35 -18.417 5.279 -4.650 1.00 0.00 C ATOM 1018 CE1 TYR A 35 -19.168 7.733 -5.769 1.00 0.00 C ATOM 1019 CE2 TYR A 35 -19.744 5.717 -4.554 1.00 0.00 C ATOM 1020 CZ TYR A 35 -20.119 6.943 -5.113 1.00 0.00 C ATOM 1021 OH TYR A 35 -21.428 7.370 -5.018 1.00 0.00 O ATOM 0 H TYR A 35 -13.991 4.225 -5.838 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.618 4.103 -6.849 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -15.793 4.945 -4.568 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -15.355 6.449 -5.354 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -17.107 7.906 -6.371 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -18.128 4.332 -4.219 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -19.458 8.680 -6.201 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -20.478 5.108 -4.048 1.00 0.00 H new ATOM 0 HH TYR A 35 -21.956 6.702 -4.533 1.00 0.00 H new ATOM 1031 N LYS A 36 -14.863 6.634 -8.091 1.00 0.00 N ATOM 1032 CA LYS A 36 -14.872 7.616 -9.224 1.00 0.00 C ATOM 1033 C LYS A 36 -14.973 6.875 -10.574 1.00 0.00 C ATOM 1034 O LYS A 36 -15.553 7.380 -11.517 1.00 0.00 O ATOM 1035 CB LYS A 36 -13.580 8.453 -9.167 1.00 0.00 C ATOM 1036 CG LYS A 36 -13.100 8.810 -10.581 1.00 0.00 C ATOM 1037 CD LYS A 36 -12.061 9.934 -10.500 1.00 0.00 C ATOM 1038 CE LYS A 36 -10.834 9.572 -11.344 1.00 0.00 C ATOM 1039 NZ LYS A 36 -9.960 10.776 -11.492 1.00 0.00 N ATOM 0 H LYS A 36 -14.022 6.646 -7.514 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.737 8.273 -9.133 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -13.757 9.365 -8.597 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.803 7.896 -8.644 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.666 7.933 -11.061 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -13.944 9.124 -11.195 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.495 10.869 -10.856 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.766 10.094 -9.463 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.279 8.762 -10.870 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.146 9.213 -12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.127 10.532 -12.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.492 11.536 -11.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.652 11.099 -10.553 1.00 0.00 H new ATOM 1053 N LEU A 37 -14.405 5.698 -10.677 1.00 0.00 N ATOM 1054 CA LEU A 37 -14.454 4.931 -11.968 1.00 0.00 C ATOM 1055 C LEU A 37 -15.908 4.685 -12.404 1.00 0.00 C ATOM 1056 O LEU A 37 -16.333 5.131 -13.454 1.00 0.00 O ATOM 1057 CB LEU A 37 -13.743 3.585 -11.785 1.00 0.00 C ATOM 1058 CG LEU A 37 -12.249 3.709 -12.119 1.00 0.00 C ATOM 1059 CD1 LEU A 37 -11.726 5.098 -11.739 1.00 0.00 C ATOM 1060 CD2 LEU A 37 -11.475 2.656 -11.330 1.00 0.00 C ATOM 0 H LEU A 37 -13.906 5.231 -9.920 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.955 5.517 -12.740 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.864 3.241 -10.758 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.203 2.835 -12.428 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.113 3.561 -13.190 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.666 5.167 -11.983 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.276 5.858 -12.294 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.863 5.258 -10.670 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.413 2.736 -11.561 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.628 2.816 -10.263 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.831 1.663 -11.602 1.00 0.00 H new ATOM 1072 N HIS A 38 -16.673 3.969 -11.615 1.00 0.00 N ATOM 1073 CA HIS A 38 -18.097 3.693 -11.995 1.00 0.00 C ATOM 1074 C HIS A 38 -19.056 4.560 -11.151 1.00 0.00 C ATOM 1075 O HIS A 38 -20.255 4.355 -11.161 1.00 0.00 O ATOM 1076 CB HIS A 38 -18.406 2.209 -11.750 1.00 0.00 C ATOM 1077 CG HIS A 38 -17.513 1.344 -12.599 1.00 0.00 C ATOM 1078 ND1 HIS A 38 -17.984 0.658 -13.707 1.00 0.00 N ATOM 1079 CD2 HIS A 38 -16.178 1.032 -12.506 1.00 0.00 C ATOM 1080 CE1 HIS A 38 -16.949 -0.026 -14.232 1.00 0.00 C ATOM 1081 NE2 HIS A 38 -15.825 0.167 -13.538 1.00 0.00 N ATOM 0 H HIS A 38 -16.375 3.565 -10.727 1.00 0.00 H new ATOM 0 HA HIS A 38 -18.237 3.935 -13.048 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -18.262 1.969 -10.697 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -19.451 2.004 -11.983 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -15.505 1.402 -11.747 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -17.020 -0.654 -15.108 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -14.905 -0.233 -13.724 1.00 0.00 H new ATOM 1089 N GLN A 39 -18.525 5.511 -10.411 1.00 0.00 N ATOM 1090 CA GLN A 39 -19.364 6.402 -9.535 1.00 0.00 C ATOM 1091 C GLN A 39 -20.316 5.564 -8.659 1.00 0.00 C ATOM 1092 O GLN A 39 -21.371 6.015 -8.252 1.00 0.00 O ATOM 1093 CB GLN A 39 -20.121 7.423 -10.408 1.00 0.00 C ATOM 1094 CG GLN A 39 -21.546 6.943 -10.721 1.00 0.00 C ATOM 1095 CD GLN A 39 -21.963 7.417 -12.116 1.00 0.00 C ATOM 1096 OE1 GLN A 39 -21.733 8.551 -12.482 1.00 0.00 O ATOM 1097 NE2 GLN A 39 -22.571 6.590 -12.916 1.00 0.00 N ATOM 0 H GLN A 39 -17.525 5.711 -10.377 1.00 0.00 H new ATOM 0 HA GLN A 39 -18.718 6.957 -8.855 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -20.163 8.383 -9.894 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.576 7.583 -11.339 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -21.592 5.855 -10.669 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -22.241 7.328 -9.974 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -22.766 5.636 -12.612 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -22.853 6.896 -13.847 1.00 0.00 H new ATOM 1106 N VAL A 40 -19.935 4.347 -8.356 1.00 0.00 N ATOM 1107 CA VAL A 40 -20.784 3.469 -7.513 1.00 0.00 C ATOM 1108 C VAL A 40 -19.949 2.847 -6.389 1.00 0.00 C ATOM 1109 O VAL A 40 -18.732 2.783 -6.455 1.00 0.00 O ATOM 1110 CB VAL A 40 -21.363 2.347 -8.373 1.00 0.00 C ATOM 1111 CG1 VAL A 40 -22.475 2.894 -9.269 1.00 0.00 C ATOM 1112 CG2 VAL A 40 -20.262 1.734 -9.241 1.00 0.00 C ATOM 0 H VAL A 40 -19.059 3.925 -8.664 1.00 0.00 H new ATOM 0 HA VAL A 40 -21.587 4.066 -7.081 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.775 1.579 -7.718 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -22.882 2.087 -9.878 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -23.267 3.315 -8.650 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -22.070 3.670 -9.918 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -20.682 0.935 -9.851 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -19.840 2.502 -9.889 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -19.478 1.328 -8.602 1.00 0.00 H new ATOM 1122 N ASN A 41 -20.607 2.375 -5.365 1.00 0.00 N ATOM 1123 CA ASN A 41 -19.889 1.738 -4.217 1.00 0.00 C ATOM 1124 C ASN A 41 -19.507 0.291 -4.570 1.00 0.00 C ATOM 1125 O ASN A 41 -20.045 -0.301 -5.490 1.00 0.00 O ATOM 1126 CB ASN A 41 -20.807 1.736 -2.987 1.00 0.00 C ATOM 1127 CG ASN A 41 -22.187 1.193 -3.371 1.00 0.00 C ATOM 1128 OD1 ASN A 41 -23.043 1.937 -3.798 1.00 0.00 O ATOM 1129 ND2 ASN A 41 -22.435 -0.080 -3.248 1.00 0.00 N ATOM 0 H ASN A 41 -21.622 2.403 -5.271 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.982 2.303 -4.003 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.372 1.123 -2.198 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.901 2.747 -2.590 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.349 -0.449 -3.511 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -21.715 -0.707 -2.889 1.00 0.00 H new ATOM 1136 N ARG A 42 -18.587 -0.283 -3.838 1.00 0.00 N ATOM 1137 CA ARG A 42 -18.171 -1.692 -4.114 1.00 0.00 C ATOM 1138 C ARG A 42 -17.814 -2.402 -2.796 1.00 0.00 C ATOM 1139 O ARG A 42 -17.379 -1.770 -1.854 1.00 0.00 O ATOM 1140 CB ARG A 42 -16.957 -1.689 -5.048 1.00 0.00 C ATOM 1141 CG ARG A 42 -17.318 -2.405 -6.352 1.00 0.00 C ATOM 1142 CD ARG A 42 -16.192 -3.362 -6.743 1.00 0.00 C ATOM 1143 NE ARG A 42 -16.401 -3.808 -8.153 1.00 0.00 N ATOM 1144 CZ ARG A 42 -15.454 -4.411 -8.819 1.00 0.00 C ATOM 1145 NH1 ARG A 42 -14.302 -4.659 -8.269 1.00 0.00 N ATOM 1146 NH2 ARG A 42 -15.663 -4.762 -10.052 1.00 0.00 N ATOM 0 H ARG A 42 -18.104 0.164 -3.059 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.994 -2.225 -4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.647 -0.665 -5.256 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.114 -2.186 -4.568 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -18.250 -2.956 -6.230 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -17.481 -1.676 -7.146 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.226 -2.867 -6.644 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.180 -4.222 -6.074 1.00 0.00 H new ATOM 0 HE ARG A 42 -17.300 -3.638 -8.604 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.128 -4.381 -7.303 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.573 -5.131 -8.804 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.562 -4.566 -10.493 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.928 -5.234 -10.580 1.00 0.00 H new ATOM 1160 N PRO A 43 -18.017 -3.701 -2.774 1.00 0.00 N ATOM 1161 CA PRO A 43 -17.730 -4.532 -1.582 1.00 0.00 C ATOM 1162 C PRO A 43 -16.248 -4.428 -1.180 1.00 0.00 C ATOM 1163 O PRO A 43 -15.372 -4.287 -2.017 1.00 0.00 O ATOM 1164 CB PRO A 43 -18.078 -5.966 -2.012 1.00 0.00 C ATOM 1165 CG PRO A 43 -18.586 -5.913 -3.476 1.00 0.00 C ATOM 1166 CD PRO A 43 -18.547 -4.446 -3.933 1.00 0.00 C ATOM 0 HA PRO A 43 -18.303 -4.211 -0.712 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.203 -6.611 -1.935 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -18.842 -6.386 -1.358 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.960 -6.531 -4.120 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.600 -6.307 -3.543 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.909 -4.322 -4.808 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.540 -4.092 -4.210 1.00 0.00 H new ATOM 1174 N LEU A 44 -15.963 -4.503 0.100 1.00 0.00 N ATOM 1175 CA LEU A 44 -14.543 -4.407 0.570 1.00 0.00 C ATOM 1176 C LEU A 44 -13.843 -5.777 0.485 1.00 0.00 C ATOM 1177 O LEU A 44 -13.024 -6.116 1.318 1.00 0.00 O ATOM 1178 CB LEU A 44 -14.523 -3.894 2.017 1.00 0.00 C ATOM 1179 CG LEU A 44 -15.127 -4.939 2.962 1.00 0.00 C ATOM 1180 CD1 LEU A 44 -14.091 -5.330 4.015 1.00 0.00 C ATOM 1181 CD2 LEU A 44 -16.351 -4.345 3.658 1.00 0.00 C ATOM 0 H LEU A 44 -16.654 -4.627 0.840 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.004 -3.712 -0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.499 -3.672 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.085 -2.963 2.087 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.420 -5.820 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -14.519 -6.073 4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.213 -5.748 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.801 -4.448 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.782 -5.086 4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -16.054 -3.466 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -17.091 -4.059 2.911 1.00 0.00 H new ATOM 1193 N THR A 45 -14.134 -6.554 -0.533 1.00 0.00 N ATOM 1194 CA THR A 45 -13.467 -7.888 -0.681 1.00 0.00 C ATOM 1195 C THR A 45 -11.971 -7.705 -0.997 1.00 0.00 C ATOM 1196 O THR A 45 -11.214 -8.655 -1.010 1.00 0.00 O ATOM 1197 CB THR A 45 -14.137 -8.667 -1.822 1.00 0.00 C ATOM 1198 OG1 THR A 45 -14.213 -7.843 -2.982 1.00 0.00 O ATOM 1199 CG2 THR A 45 -15.549 -9.080 -1.403 1.00 0.00 C ATOM 0 H THR A 45 -14.804 -6.322 -1.267 1.00 0.00 H new ATOM 0 HA THR A 45 -13.566 -8.440 0.254 1.00 0.00 H new ATOM 0 HB THR A 45 -13.548 -9.557 -2.043 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.639 -8.342 -3.710 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.022 -9.633 -2.215 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.495 -9.712 -0.517 1.00 0.00 H new ATOM 0 HG23 THR A 45 -16.137 -8.190 -1.179 1.00 0.00 H new ATOM 1207 N MET A 46 -11.541 -6.491 -1.255 1.00 0.00 N ATOM 1208 CA MET A 46 -10.100 -6.246 -1.571 1.00 0.00 C ATOM 1209 C MET A 46 -9.325 -5.883 -0.288 1.00 0.00 C ATOM 1210 O MET A 46 -8.114 -5.999 -0.236 1.00 0.00 O ATOM 1211 CB MET A 46 -9.987 -5.091 -2.574 1.00 0.00 C ATOM 1212 CG MET A 46 -10.995 -5.281 -3.713 1.00 0.00 C ATOM 1213 SD MET A 46 -10.198 -6.150 -5.086 1.00 0.00 S ATOM 1214 CE MET A 46 -10.074 -4.737 -6.208 1.00 0.00 C ATOM 0 H MET A 46 -12.130 -5.658 -1.260 1.00 0.00 H new ATOM 0 HA MET A 46 -9.674 -7.153 -1.999 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.171 -4.142 -2.070 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.975 -5.047 -2.977 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.856 -5.849 -3.360 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.367 -4.313 -4.048 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.602 -5.052 -7.139 1.00 0.00 H new ATOM 0 HE2 MET A 46 -11.071 -4.352 -6.419 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.474 -3.955 -5.743 1.00 0.00 H new ATOM 1224 N ARG A 47 -10.005 -5.444 0.746 1.00 0.00 N ATOM 1225 CA ARG A 47 -9.295 -5.080 2.012 1.00 0.00 C ATOM 1226 C ARG A 47 -8.693 -6.340 2.645 1.00 0.00 C ATOM 1227 O ARG A 47 -9.272 -7.406 2.593 1.00 0.00 O ATOM 1228 CB ARG A 47 -10.282 -4.428 2.987 1.00 0.00 C ATOM 1229 CG ARG A 47 -9.928 -2.947 3.162 1.00 0.00 C ATOM 1230 CD ARG A 47 -10.395 -2.159 1.934 1.00 0.00 C ATOM 1231 NE ARG A 47 -9.333 -2.196 0.880 1.00 0.00 N ATOM 1232 CZ ARG A 47 -9.598 -1.872 -0.360 1.00 0.00 C ATOM 1233 NH1 ARG A 47 -10.798 -1.513 -0.717 1.00 0.00 N ATOM 1234 NH2 ARG A 47 -8.651 -1.905 -1.246 1.00 0.00 N ATOM 0 H ARG A 47 -11.018 -5.323 0.767 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.495 -4.375 1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.300 -4.527 2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.247 -4.937 3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.402 -2.553 4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.852 -2.833 3.292 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.321 -2.585 1.547 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.610 -1.127 2.212 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.386 -2.479 1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.548 -1.481 -0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.988 -1.263 -1.688 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.708 -2.182 -0.974 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.850 -1.654 -2.214 1.00 0.00 H new ATOM 1248 N LYS A 48 -7.526 -6.227 3.225 1.00 0.00 N ATOM 1249 CA LYS A 48 -6.875 -7.419 3.849 1.00 0.00 C ATOM 1250 C LYS A 48 -6.390 -7.058 5.267 1.00 0.00 C ATOM 1251 O LYS A 48 -6.911 -6.158 5.894 1.00 0.00 O ATOM 1252 CB LYS A 48 -5.688 -7.862 2.975 1.00 0.00 C ATOM 1253 CG LYS A 48 -6.012 -7.618 1.496 1.00 0.00 C ATOM 1254 CD LYS A 48 -5.309 -8.666 0.631 1.00 0.00 C ATOM 1255 CE LYS A 48 -5.652 -8.421 -0.840 1.00 0.00 C ATOM 1256 NZ LYS A 48 -5.688 -9.722 -1.572 1.00 0.00 N ATOM 0 H LYS A 48 -6.994 -5.359 3.294 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.591 -8.238 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.791 -7.310 3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.477 -8.918 3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.089 -7.666 1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.691 -6.618 1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.230 -8.612 0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.621 -9.667 0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.617 -7.921 -0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.912 -7.760 -1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.921 -9.552 -2.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.758 -10.183 -1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.410 -10.339 -1.148 1.00 0.00 H new ATOM 1270 N ASP A 49 -5.402 -7.759 5.769 1.00 0.00 N ATOM 1271 CA ASP A 49 -4.877 -7.475 7.144 1.00 0.00 C ATOM 1272 C ASP A 49 -4.415 -6.010 7.257 1.00 0.00 C ATOM 1273 O ASP A 49 -5.151 -5.148 7.701 1.00 0.00 O ATOM 1274 CB ASP A 49 -3.699 -8.417 7.422 1.00 0.00 C ATOM 1275 CG ASP A 49 -4.223 -9.785 7.863 1.00 0.00 C ATOM 1276 OD1 ASP A 49 -4.772 -10.485 7.029 1.00 0.00 O ATOM 1277 OD2 ASP A 49 -4.061 -10.112 9.026 1.00 0.00 O ATOM 0 H ASP A 49 -4.932 -8.522 5.282 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.669 -7.638 7.875 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.087 -8.523 6.526 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.059 -7.995 8.197 1.00 0.00 H new ATOM 1282 N GLY A 50 -3.200 -5.725 6.861 1.00 0.00 N ATOM 1283 CA GLY A 50 -2.687 -4.324 6.941 1.00 0.00 C ATOM 1284 C GLY A 50 -2.534 -3.761 5.528 1.00 0.00 C ATOM 1285 O GLY A 50 -2.650 -4.477 4.551 1.00 0.00 O ATOM 0 H GLY A 50 -2.539 -6.405 6.485 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.374 -3.705 7.519 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.728 -4.305 7.459 1.00 0.00 H new ATOM 1289 N ILE A 51 -2.278 -2.483 5.407 1.00 0.00 N ATOM 1290 CA ILE A 51 -2.121 -1.871 4.053 1.00 0.00 C ATOM 1291 C ILE A 51 -1.089 -2.654 3.233 1.00 0.00 C ATOM 1292 O ILE A 51 0.013 -2.917 3.682 1.00 0.00 O ATOM 1293 CB ILE A 51 -1.652 -0.426 4.195 1.00 0.00 C ATOM 1294 CG1 ILE A 51 -2.745 0.393 4.885 1.00 0.00 C ATOM 1295 CG2 ILE A 51 -1.376 0.154 2.803 1.00 0.00 C ATOM 1296 CD1 ILE A 51 -2.519 1.875 4.608 1.00 0.00 C ATOM 0 H ILE A 51 -2.171 -1.836 6.189 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.084 -1.900 3.542 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.740 -0.390 4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.727 0.089 4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.731 0.206 5.959 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.041 1.187 2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.602 -0.435 2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.289 0.123 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.297 2.460 5.099 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.544 2.173 4.993 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.554 2.054 3.533 1.00 0.00 H new ATOM 1308 N GLN A 52 -1.441 -3.011 2.029 1.00 0.00 N ATOM 1309 CA GLN A 52 -0.490 -3.761 1.161 1.00 0.00 C ATOM 1310 C GLN A 52 0.593 -2.808 0.644 1.00 0.00 C ATOM 1311 O GLN A 52 0.465 -1.600 0.718 1.00 0.00 O ATOM 1312 CB GLN A 52 -1.247 -4.359 -0.027 1.00 0.00 C ATOM 1313 CG GLN A 52 -2.276 -5.383 0.472 1.00 0.00 C ATOM 1314 CD GLN A 52 -3.664 -4.739 0.530 1.00 0.00 C ATOM 1315 OE1 GLN A 52 -4.332 -4.800 1.538 1.00 0.00 O ATOM 1316 NE2 GLN A 52 -4.130 -4.121 -0.518 1.00 0.00 N ATOM 0 H GLN A 52 -2.349 -2.815 1.608 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.026 -4.560 1.739 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.749 -3.568 -0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.547 -4.838 -0.712 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.294 -6.247 -0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.992 -5.746 1.460 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.570 -4.067 -1.369 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.054 -3.691 -0.487 1.00 0.00 H new ATOM 1325 N THR A 53 1.655 -3.345 0.112 1.00 0.00 N ATOM 1326 CA THR A 53 2.753 -2.481 -0.421 1.00 0.00 C ATOM 1327 C THR A 53 3.445 -3.201 -1.581 1.00 0.00 C ATOM 1328 O THR A 53 3.257 -4.387 -1.793 1.00 0.00 O ATOM 1329 CB THR A 53 3.766 -2.169 0.694 1.00 0.00 C ATOM 1330 OG1 THR A 53 5.031 -1.856 0.123 1.00 0.00 O ATOM 1331 CG2 THR A 53 3.917 -3.376 1.618 1.00 0.00 C ATOM 0 H THR A 53 1.813 -4.349 0.022 1.00 0.00 H new ATOM 0 HA THR A 53 2.335 -1.541 -0.781 1.00 0.00 H new ATOM 0 HB THR A 53 3.403 -1.317 1.269 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.672 -1.656 0.837 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.636 -3.145 2.404 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.953 -3.613 2.067 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.270 -4.232 1.043 1.00 0.00 H new ATOM 1339 N ARG A 54 4.241 -2.491 -2.334 1.00 0.00 N ATOM 1340 CA ARG A 54 4.950 -3.120 -3.488 1.00 0.00 C ATOM 1341 C ARG A 54 6.278 -2.396 -3.737 1.00 0.00 C ATOM 1342 O ARG A 54 6.725 -1.598 -2.934 1.00 0.00 O ATOM 1343 CB ARG A 54 4.059 -3.023 -4.734 1.00 0.00 C ATOM 1344 CG ARG A 54 3.786 -4.428 -5.278 1.00 0.00 C ATOM 1345 CD ARG A 54 2.504 -4.416 -6.114 1.00 0.00 C ATOM 1346 NE ARG A 54 1.512 -5.389 -5.543 1.00 0.00 N ATOM 1347 CZ ARG A 54 1.828 -6.631 -5.279 1.00 0.00 C ATOM 1348 NH1 ARG A 54 2.965 -7.138 -5.656 1.00 0.00 N ATOM 1349 NH2 ARG A 54 0.966 -7.389 -4.676 1.00 0.00 N ATOM 0 H ARG A 54 4.432 -1.498 -2.200 1.00 0.00 H new ATOM 0 HA ARG A 54 5.157 -4.167 -3.267 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.120 -2.529 -4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.546 -2.415 -5.496 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.626 -4.762 -5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.688 -5.135 -4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.077 -3.413 -6.126 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.731 -4.679 -7.147 1.00 0.00 H new ATOM 0 HE ARG A 54 0.561 -5.071 -5.355 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.634 -6.564 -6.170 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.188 -8.109 -5.438 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.054 -7.015 -4.413 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.200 -8.359 -4.464 1.00 0.00 H new ATOM 1363 N ASN A 55 6.911 -2.660 -4.852 1.00 0.00 N ATOM 1364 CA ASN A 55 8.200 -1.973 -5.151 1.00 0.00 C ATOM 1365 C ASN A 55 7.906 -0.525 -5.559 1.00 0.00 C ATOM 1366 O ASN A 55 7.304 -0.265 -6.586 1.00 0.00 O ATOM 1367 CB ASN A 55 8.927 -2.701 -6.286 1.00 0.00 C ATOM 1368 CG ASN A 55 10.178 -3.386 -5.734 1.00 0.00 C ATOM 1369 OD1 ASN A 55 11.269 -3.148 -6.204 1.00 0.00 O ATOM 1370 ND2 ASN A 55 10.068 -4.231 -4.748 1.00 0.00 N ATOM 0 H ASN A 55 6.592 -3.318 -5.563 1.00 0.00 H new ATOM 0 HA ASN A 55 8.838 -1.982 -4.267 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.266 -3.439 -6.741 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.202 -1.994 -7.069 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.899 -4.690 -4.374 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.151 -4.434 -4.350 1.00 0.00 H new ATOM 1377 N ARG A 56 8.313 0.419 -4.748 1.00 0.00 N ATOM 1378 CA ARG A 56 8.052 1.856 -5.061 1.00 0.00 C ATOM 1379 C ARG A 56 8.521 2.175 -6.485 1.00 0.00 C ATOM 1380 O ARG A 56 9.440 1.571 -7.004 1.00 0.00 O ATOM 1381 CB ARG A 56 8.796 2.741 -4.043 1.00 0.00 C ATOM 1382 CG ARG A 56 9.403 3.968 -4.738 1.00 0.00 C ATOM 1383 CD ARG A 56 9.839 4.998 -3.694 1.00 0.00 C ATOM 1384 NE ARG A 56 10.764 4.352 -2.715 1.00 0.00 N ATOM 1385 CZ ARG A 56 11.464 5.066 -1.881 1.00 0.00 C ATOM 1386 NH1 ARG A 56 11.387 6.365 -1.887 1.00 0.00 N ATOM 1387 NH2 ARG A 56 12.256 4.473 -1.041 1.00 0.00 N ATOM 0 H ARG A 56 8.818 0.254 -3.877 1.00 0.00 H new ATOM 0 HA ARG A 56 6.982 2.055 -4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.108 3.062 -3.261 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.583 2.164 -3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.258 3.667 -5.344 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.673 4.411 -5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.336 5.837 -4.181 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.967 5.399 -3.177 1.00 0.00 H new ATOM 0 HE ARG A 56 10.849 3.336 -2.700 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.772 6.836 -2.551 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.941 6.912 -1.228 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.326 3.455 -1.038 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.808 5.025 -0.384 1.00 0.00 H new ATOM 1401 N LYS A 57 7.897 3.137 -7.110 1.00 0.00 N ATOM 1402 CA LYS A 57 8.299 3.522 -8.495 1.00 0.00 C ATOM 1403 C LYS A 57 9.539 4.419 -8.417 1.00 0.00 C ATOM 1404 O LYS A 57 9.615 5.315 -7.593 1.00 0.00 O ATOM 1405 CB LYS A 57 7.161 4.289 -9.202 1.00 0.00 C ATOM 1406 CG LYS A 57 5.851 4.175 -8.412 1.00 0.00 C ATOM 1407 CD LYS A 57 4.661 4.423 -9.341 1.00 0.00 C ATOM 1408 CE LYS A 57 3.809 5.573 -8.800 1.00 0.00 C ATOM 1409 NZ LYS A 57 3.922 6.746 -9.715 1.00 0.00 N ATOM 0 H LYS A 57 7.123 3.675 -6.720 1.00 0.00 H new ATOM 0 HA LYS A 57 8.515 2.619 -9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.436 5.338 -9.309 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.020 3.893 -10.207 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.772 3.185 -7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.844 4.898 -7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.015 4.662 -10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.058 3.519 -9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.768 5.261 -8.717 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.141 5.846 -7.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.343 7.529 -9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.916 7.047 -9.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.586 6.481 -10.663 1.00 0.00 H new